SMILES:
CCC(=O)OC1CCC2C3CCC4=CCCCC4(CO)C3CCC12CMolecular Processing
Molecular formula
C22H34O3
Molecular weight
346.51
Exact mass
346.2508
XLogP
4.63
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.864
Molar refractivity
97.9
Supplementary Information
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